SCHEMBL5137740

SCHEMBL5137740

c1ccc2c(NCc3ccc4c(c3)OCO4)ncnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 1.00
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CLK4 Q9HAZ1 5/20 0.70
USP2 O75604 1/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
HSD17B10 Q99714 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16997374 0.88 PDE5A (0.78) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7499068 0.87 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7548083 0.87 PDE5A (0.80) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7495950 0.84 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31034788 0.84 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8015683 0.84 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2458882 0.84 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31038289 0.84 PDE5A (1.00) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13191863 0.84 PDE5A (0.76) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13192079 0.84 PDE5A (0.76) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 US disclosed
US-8309133-B2 Nanoparticulate quinazoline derivative formulations ALKERMES PHARMA IRELAND LIMITED (IE) 2012-11-13 US disclosed
EP-1871345-B1 NANOPARTICULATE ERLOTINIB FORMULATIONS ELAN PHARMA INT LTD (IE) 2012-08-01 EP disclosed
EP-1871345-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS Elan Pharma International Limited (IE) 2008-01-02 EP disclosed
US-20060246142-A1 Nanoparticulate quinazoline derivative formulations ELAN PHARMA INTERNATIONAL, LIMITED 2006-11-02 US disclosed
WO-2006110811-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS ELAN PHARMA INTERNATIONAL LIMITED (IE) 2006-10-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060246142-A1 Nanoparticulate quinazoline derivative formulations KRAS, NRAS, ABL1 PDE5A 2373/4885ALDH1A1 2763/4885MEN1 814/4885
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB PDE5A 270/4885ALDH1A1 3907/4885MEN1 59/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.